TAK-071

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Synonyms
Status
Molecule Category Free-form
UNII 59XC9G796Y

Structure

InChI Key WFSARWQASFQZMG-VXKWHMMOSA-N
Smiles Cc1c(Cc2ccc(-n3cccn3)cc2)cc2c(c1F)CN([C@H]1COCC[C@@H]1O)C2=O
InChI
InChI=1S/C24H24FN3O3/c1-15-17(11-16-3-5-18(6-4-16)28-9-2-8-26-28)12-19-20(23(15)25)13-27(24(19)30)21-14-31-10-7-22(21)29/h2-6,8-9,12,21-22,29H,7,10-11,13-14H2,1H3/t21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H24FN3O3
Molecular Weight 421.47
AlogP 3.02
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 67.59
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M1 positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed PubMed PubMed

Target Conservation

Protein: Muscarinic acetylcholine receptor M1
Description: Muscarinic acetylcholine receptor M1
Organism : Homo sapiens
P11229 ENSG00000168539

Cross References

Resources Reference
ChEMBL CHEMBL4594351
FDA SRS 59XC9G796Y
PubChem 92042879
SureChEMBL SCHEMBL17201222
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